USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -72:sc= 0.834 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 27 SER OG : rot 150:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.425 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc=-0.00971 X(o=-0.0097,f=-0.45) USER MOD Single : A 36 MET CE :methyl -117:sc= 0 (180deg=-0.0508) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 37:sc= 0.454 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 12.988 3.191 -1.180 1.00 0.00 N ATOM 197 CA GLU A 13 13.705 2.971 -2.441 1.00 0.00 C ATOM 198 C GLU A 13 14.055 4.297 -3.148 1.00 0.00 C ATOM 199 O GLU A 13 15.192 4.476 -3.588 1.00 0.00 O ATOM 200 CB GLU A 13 12.846 2.054 -3.326 1.00 0.00 C ATOM 201 CG GLU A 13 13.561 1.630 -4.612 1.00 0.00 C ATOM 202 CD GLU A 13 12.708 0.619 -5.405 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.824 1.046 -6.191 1.00 0.00 O ATOM 204 OE2 GLU A 13 12.922 -0.610 -5.262 1.00 0.00 O ATOM 0 HA GLU A 13 14.662 2.490 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.570 1.165 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.920 2.568 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.761 2.507 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.526 1.186 -4.367 1.00 0.00 H new ATOM 211 N VAL A 14 13.126 5.258 -3.200 1.00 0.00 N ATOM 212 CA VAL A 14 13.372 6.590 -3.790 1.00 0.00 C ATOM 213 C VAL A 14 14.261 7.465 -2.897 1.00 0.00 C ATOM 214 O VAL A 14 15.100 8.201 -3.410 1.00 0.00 O ATOM 215 CB VAL A 14 12.032 7.273 -4.130 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.188 8.750 -4.515 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.367 6.559 -5.316 1.00 0.00 C ATOM 0 H VAL A 14 12.181 5.140 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 14 13.928 6.454 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 14 11.426 7.211 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.209 9.172 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.635 9.297 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.831 8.832 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.421 7.047 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.024 6.606 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.183 5.517 -5.056 1.00 0.00 H new ATOM 227 N ASP A 15 14.140 7.374 -1.573 1.00 0.00 N ATOM 228 CA ASP A 15 15.015 8.076 -0.625 1.00 0.00 C ATOM 229 C ASP A 15 16.480 7.589 -0.732 1.00 0.00 C ATOM 230 O ASP A 15 17.412 8.394 -0.826 1.00 0.00 O ATOM 231 CB ASP A 15 14.414 7.859 0.771 1.00 0.00 C ATOM 232 CG ASP A 15 15.075 8.710 1.838 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.648 9.871 2.012 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.030 8.253 2.498 1.00 0.00 O ATOM 0 H ASP A 15 13.425 6.805 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 15 15.061 9.142 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.348 8.086 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.509 6.807 1.042 1.00 0.00 H new ATOM 239 N GLU A 16 16.674 6.268 -0.836 1.00 0.00 N ATOM 240 CA GLU A 16 17.966 5.653 -1.157 1.00 0.00 C ATOM 241 C GLU A 16 18.476 6.063 -2.549 1.00 0.00 C ATOM 242 O GLU A 16 19.659 6.369 -2.699 1.00 0.00 O ATOM 243 CB GLU A 16 17.835 4.122 -1.054 1.00 0.00 C ATOM 244 CG GLU A 16 19.119 3.387 -1.458 1.00 0.00 C ATOM 245 CD GLU A 16 18.993 1.877 -1.182 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.322 1.432 -0.054 1.00 0.00 O ATOM 247 OE2 GLU A 16 18.575 1.119 -2.091 1.00 0.00 O ATOM 0 H GLU A 16 15.927 5.588 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 16 18.703 6.011 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.574 3.852 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.015 3.788 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.321 3.552 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.966 3.793 -0.905 1.00 0.00 H new ATOM 254 N ALA A 17 17.604 6.120 -3.560 1.00 0.00 N ATOM 255 CA ALA A 17 17.985 6.575 -4.895 1.00 0.00 C ATOM 256 C ALA A 17 18.429 8.055 -4.894 1.00 0.00 C ATOM 257 O ALA A 17 19.404 8.404 -5.559 1.00 0.00 O ATOM 258 CB ALA A 17 16.832 6.327 -5.877 1.00 0.00 C ATOM 0 H ALA A 17 16.623 5.854 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 17 18.849 5.997 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.121 6.668 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.605 5.261 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.949 6.875 -5.548 1.00 0.00 H new ATOM 264 N ILE A 18 17.777 8.911 -4.099 1.00 0.00 N ATOM 265 CA ILE A 18 18.204 10.300 -3.878 1.00 0.00 C ATOM 266 C ILE A 18 19.588 10.341 -3.220 1.00 0.00 C ATOM 267 O ILE A 18 20.451 11.046 -3.733 1.00 0.00 O ATOM 268 CB ILE A 18 17.130 11.093 -3.094 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.966 11.426 -4.053 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.687 12.388 -2.470 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.700 11.917 -3.344 1.00 0.00 C ATOM 0 H ILE A 18 16.932 8.659 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 18 18.304 10.799 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 18 16.785 10.471 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.296 12.190 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.723 10.538 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.892 12.904 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.492 12.141 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.072 13.035 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.928 12.130 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.344 11.147 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.926 12.824 -2.783 1.00 0.00 H new ATOM 283 N ASP A 19 19.859 9.569 -2.161 1.00 0.00 N ATOM 284 CA ASP A 19 21.216 9.516 -1.576 1.00 0.00 C ATOM 285 C ASP A 19 22.274 8.967 -2.555 1.00 0.00 C ATOM 286 O ASP A 19 23.397 9.473 -2.597 1.00 0.00 O ATOM 287 CB ASP A 19 21.224 8.685 -0.283 1.00 0.00 C ATOM 288 CG ASP A 19 20.553 9.397 0.903 1.00 0.00 C ATOM 289 OD1 ASP A 19 20.667 10.636 1.038 1.00 0.00 O ATOM 290 OD2 ASP A 19 19.898 8.727 1.732 1.00 0.00 O ATOM 0 H ASP A 19 19.172 8.978 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 19 21.487 10.547 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.715 7.739 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 19 22.254 8.447 -0.019 1.00 0.00 H new ATOM 295 N ASN A 20 21.927 7.983 -3.390 1.00 0.00 N ATOM 296 CA ASN A 20 22.821 7.458 -4.427 1.00 0.00 C ATOM 297 C ASN A 20 23.151 8.525 -5.492 1.00 0.00 C ATOM 298 O ASN A 20 24.319 8.700 -5.835 1.00 0.00 O ATOM 299 CB ASN A 20 22.173 6.203 -5.042 1.00 0.00 C ATOM 300 CG ASN A 20 23.058 5.566 -6.104 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.904 5.799 -7.295 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.021 4.761 -5.711 1.00 0.00 N ATOM 0 H ASN A 20 21.015 7.526 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 20 23.776 7.183 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.971 5.477 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.213 6.470 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.639 4.331 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.150 4.567 -4.718 1.00 0.00 H new ATOM 309 N ILE A 21 22.151 9.291 -5.943 1.00 0.00 N ATOM 310 CA ILE A 21 22.341 10.437 -6.850 1.00 0.00 C ATOM 311 C ILE A 21 23.181 11.532 -6.180 1.00 0.00 C ATOM 312 O ILE A 21 24.100 12.069 -6.796 1.00 0.00 O ATOM 313 CB ILE A 21 20.963 10.967 -7.320 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.363 9.987 -8.356 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.081 12.382 -7.917 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.866 10.205 -8.614 1.00 0.00 C ATOM 0 H ILE A 21 21.176 9.134 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 21 22.894 10.110 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 21 20.301 11.032 -6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.904 10.090 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.518 8.965 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.097 12.725 -8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.475 13.063 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.754 12.360 -8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.515 9.482 -9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.313 10.073 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.705 11.215 -8.991 1.00 0.00 H new ATOM 328 N LEU A 22 22.901 11.841 -4.914 1.00 0.00 N ATOM 329 CA LEU A 22 23.600 12.865 -4.137 1.00 0.00 C ATOM 330 C LEU A 22 25.104 12.545 -4.003 1.00 0.00 C ATOM 331 O LEU A 22 25.947 13.419 -4.216 1.00 0.00 O ATOM 332 CB LEU A 22 22.884 12.935 -2.775 1.00 0.00 C ATOM 333 CG LEU A 22 23.313 14.083 -1.859 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.848 15.427 -2.415 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.701 13.887 -0.472 1.00 0.00 C ATOM 0 H LEU A 22 22.163 11.374 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 22 23.564 13.835 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.812 13.017 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.049 11.994 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 22 24.401 14.081 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.165 16.227 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.285 15.584 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.761 15.431 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.007 14.705 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.614 13.874 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.045 12.941 -0.053 1.00 0.00 H new ATOM 347 N ARG A 23 25.439 11.270 -3.744 1.00 0.00 N ATOM 348 CA ARG A 23 26.824 10.767 -3.717 1.00 0.00 C ATOM 349 C ARG A 23 27.475 10.765 -5.110 1.00 0.00 C ATOM 350 O ARG A 23 28.601 11.233 -5.254 1.00 0.00 O ATOM 351 CB ARG A 23 26.821 9.372 -3.061 1.00 0.00 C ATOM 352 CG ARG A 23 28.240 8.830 -2.821 1.00 0.00 C ATOM 353 CD ARG A 23 28.198 7.487 -2.083 1.00 0.00 C ATOM 354 NE ARG A 23 29.557 6.956 -1.861 1.00 0.00 N ATOM 355 CZ ARG A 23 29.876 5.831 -1.236 1.00 0.00 C ATOM 356 NH1 ARG A 23 28.977 5.043 -0.717 1.00 0.00 N ATOM 357 NH2 ARG A 23 31.125 5.475 -1.120 1.00 0.00 N ATOM 0 H ARG A 23 24.746 10.549 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 23 27.442 11.440 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.289 9.422 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.273 8.677 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.753 8.709 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.815 9.551 -2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.693 7.611 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.615 6.770 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 23 30.331 7.512 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.988 5.284 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.262 4.186 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 23 31.861 6.063 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.366 4.609 -0.638 1.00 0.00 H new ATOM 371 N TYR A 24 26.755 10.295 -6.130 1.00 0.00 N ATOM 372 CA TYR A 24 27.253 10.204 -7.515 1.00 0.00 C ATOM 373 C TYR A 24 27.565 11.574 -8.147 1.00 0.00 C ATOM 374 O TYR A 24 28.579 11.732 -8.830 1.00 0.00 O ATOM 375 CB TYR A 24 26.197 9.452 -8.344 1.00 0.00 C ATOM 376 CG TYR A 24 26.466 9.372 -9.837 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.615 8.714 -10.316 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.554 9.945 -10.747 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.856 8.636 -11.701 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.785 9.857 -12.132 1.00 0.00 C ATOM 381 CZ TYR A 24 26.939 9.202 -12.614 1.00 0.00 C ATOM 382 OH TYR A 24 27.175 9.102 -13.953 1.00 0.00 O ATOM 0 H TYR A 24 25.797 9.961 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 24 28.203 9.669 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.111 8.438 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.232 9.935 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.312 8.269 -9.621 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.675 10.453 -10.379 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.744 8.142 -12.066 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.080 10.290 -12.826 1.00 0.00 H new ATOM 0 HH TYR A 24 26.451 9.541 -14.446 1.00 0.00 H new ATOM 392 N THR A 25 26.717 12.579 -7.893 1.00 0.00 N ATOM 393 CA THR A 25 26.855 13.924 -8.494 1.00 0.00 C ATOM 394 C THR A 25 27.804 14.863 -7.735 1.00 0.00 C ATOM 395 O THR A 25 28.187 15.894 -8.290 1.00 0.00 O ATOM 396 CB THR A 25 25.496 14.616 -8.678 1.00 0.00 C ATOM 397 OG1 THR A 25 24.833 14.761 -7.445 1.00 0.00 O ATOM 398 CG2 THR A 25 24.564 13.868 -9.633 1.00 0.00 C ATOM 0 H THR A 25 25.916 12.489 -7.268 1.00 0.00 H new ATOM 0 HA THR A 25 27.304 13.733 -9.469 1.00 0.00 H new ATOM 0 HB THR A 25 25.724 15.590 -9.111 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.520 13.885 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.621 14.409 -9.719 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.032 13.795 -10.615 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.374 12.867 -9.246 1.00 0.00 H new ATOM 406 N ASN A 26 28.207 14.531 -6.500 1.00 0.00 N ATOM 407 CA ASN A 26 29.076 15.361 -5.647 1.00 0.00 C ATOM 408 C ASN A 26 28.541 16.808 -5.487 1.00 0.00 C ATOM 409 O ASN A 26 29.229 17.792 -5.773 1.00 0.00 O ATOM 410 CB ASN A 26 30.540 15.241 -6.123 1.00 0.00 C ATOM 411 CG ASN A 26 31.548 15.803 -5.127 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.252 16.095 -3.975 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.790 15.944 -5.531 1.00 0.00 N ATOM 0 H ASN A 26 27.932 13.656 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 26 29.058 14.981 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.769 14.192 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.649 15.763 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.499 16.294 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.045 15.703 -6.489 1.00 0.00 H new ATOM 420 N SER A 27 27.267 16.896 -5.095 1.00 0.00 N ATOM 421 CA SER A 27 26.519 18.151 -4.891 1.00 0.00 C ATOM 422 C SER A 27 25.672 18.115 -3.605 1.00 0.00 C ATOM 423 O SER A 27 25.521 17.061 -2.989 1.00 0.00 O ATOM 424 CB SER A 27 25.644 18.425 -6.124 1.00 0.00 C ATOM 425 OG SER A 27 26.412 19.112 -7.106 1.00 0.00 O ATOM 0 H SER A 27 26.703 16.068 -4.903 1.00 0.00 H new ATOM 0 HA SER A 27 27.234 18.964 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 27 25.267 17.487 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.776 19.021 -5.842 1.00 0.00 H new ATOM 0 HG SER A 27 26.084 18.879 -8.000 1.00 0.00 H new ATOM 431 N THR A 28 25.122 19.265 -3.188 1.00 0.00 N ATOM 432 CA THR A 28 24.224 19.358 -2.017 1.00 0.00 C ATOM 433 C THR A 28 22.772 19.036 -2.381 1.00 0.00 C ATOM 434 O THR A 28 22.371 19.127 -3.543 1.00 0.00 O ATOM 435 CB THR A 28 24.293 20.743 -1.348 1.00 0.00 C ATOM 436 OG1 THR A 28 23.717 21.708 -2.198 1.00 0.00 O ATOM 437 CG2 THR A 28 25.716 21.190 -1.032 1.00 0.00 C ATOM 0 H THR A 28 25.284 20.160 -3.650 1.00 0.00 H new ATOM 0 HA THR A 28 24.577 18.611 -1.307 1.00 0.00 H new ATOM 0 HB THR A 28 23.750 20.654 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.760 22.589 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.693 22.173 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.180 20.474 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.294 21.242 -1.954 1.00 0.00 H new ATOM 445 N GLU A 29 21.938 18.715 -1.383 1.00 0.00 N ATOM 446 CA GLU A 29 20.499 18.495 -1.605 1.00 0.00 C ATOM 447 C GLU A 29 19.787 19.788 -2.039 1.00 0.00 C ATOM 448 O GLU A 29 18.870 19.736 -2.853 1.00 0.00 O ATOM 449 CB GLU A 29 19.835 17.912 -0.348 1.00 0.00 C ATOM 450 CG GLU A 29 20.390 16.533 0.018 1.00 0.00 C ATOM 451 CD GLU A 29 19.611 15.917 1.191 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.853 16.308 2.361 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.766 15.025 0.943 1.00 0.00 O ATOM 0 H GLU A 29 22.233 18.601 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 29 20.402 17.774 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.984 18.595 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.760 17.837 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.332 15.873 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.444 16.620 0.283 1.00 0.00 H new ATOM 460 N GLN A 30 20.259 20.953 -1.578 1.00 0.00 N ATOM 461 CA GLN A 30 19.757 22.256 -2.034 1.00 0.00 C ATOM 462 C GLN A 30 20.073 22.488 -3.521 1.00 0.00 C ATOM 463 O GLN A 30 19.175 22.844 -4.281 1.00 0.00 O ATOM 464 CB GLN A 30 20.334 23.380 -1.161 1.00 0.00 C ATOM 465 CG GLN A 30 19.822 23.331 0.288 1.00 0.00 C ATOM 466 CD GLN A 30 20.402 24.461 1.137 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.390 24.298 1.844 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.830 25.648 1.098 1.00 0.00 N ATOM 0 H GLN A 30 20.999 21.019 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 30 18.672 22.261 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.422 23.311 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.076 24.344 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.734 23.397 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.084 22.371 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.007 25.799 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.210 26.416 1.652 1.00 0.00 H new ATOM 477 N GLN A 31 21.302 22.192 -3.968 1.00 0.00 N ATOM 478 CA GLN A 31 21.664 22.283 -5.392 1.00 0.00 C ATOM 479 C GLN A 31 20.875 21.279 -6.246 1.00 0.00 C ATOM 480 O GLN A 31 20.453 21.614 -7.351 1.00 0.00 O ATOM 481 CB GLN A 31 23.180 22.074 -5.571 1.00 0.00 C ATOM 482 CG GLN A 31 24.022 23.274 -5.098 1.00 0.00 C ATOM 483 CD GLN A 31 23.933 24.515 -5.997 1.00 0.00 C ATOM 484 OE1 GLN A 31 23.316 24.534 -7.055 1.00 0.00 O ATOM 485 NE2 GLN A 31 24.565 25.603 -5.613 1.00 0.00 N ATOM 0 H GLN A 31 22.064 21.887 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 31 21.401 23.282 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.485 21.185 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.391 21.883 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.706 23.548 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 31 25.065 22.965 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.085 25.608 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.535 26.442 -6.193 1.00 0.00 H new ATOM 494 N PHE A 32 20.612 20.070 -5.732 1.00 0.00 N ATOM 495 CA PHE A 32 19.771 19.081 -6.420 1.00 0.00 C ATOM 496 C PHE A 32 18.305 19.543 -6.516 1.00 0.00 C ATOM 497 O PHE A 32 17.708 19.440 -7.586 1.00 0.00 O ATOM 498 CB PHE A 32 19.944 17.717 -5.725 1.00 0.00 C ATOM 499 CG PHE A 32 19.281 16.489 -6.346 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.782 16.474 -7.668 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.194 15.320 -5.569 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.154 15.323 -8.178 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.577 14.166 -6.086 1.00 0.00 C ATOM 504 CZ PHE A 32 18.044 14.171 -7.385 1.00 0.00 C ATOM 0 H PHE A 32 20.974 19.751 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 32 20.094 18.975 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.013 17.515 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.570 17.815 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.883 17.351 -8.290 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.603 15.308 -4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.756 15.326 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.513 13.273 -5.482 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.551 13.291 -7.772 1.00 0.00 H new ATOM 514 N LEU A 33 17.740 20.126 -5.453 1.00 0.00 N ATOM 515 CA LEU A 33 16.395 20.717 -5.478 1.00 0.00 C ATOM 516 C LEU A 33 16.313 21.854 -6.501 1.00 0.00 C ATOM 517 O LEU A 33 15.434 21.841 -7.359 1.00 0.00 O ATOM 518 CB LEU A 33 16.002 21.128 -4.042 1.00 0.00 C ATOM 519 CG LEU A 33 14.584 21.690 -3.790 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.419 23.145 -4.233 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.478 20.841 -4.419 1.00 0.00 C ATOM 0 H LEU A 33 18.203 20.202 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 33 15.661 19.985 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.129 20.255 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.719 21.877 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 33 14.476 21.649 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.401 23.475 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.122 23.774 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.617 23.225 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.508 21.290 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.625 20.793 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.511 19.834 -4.003 1.00 0.00 H new ATOM 533 N GLU A 34 17.269 22.779 -6.483 1.00 0.00 N ATOM 534 CA GLU A 34 17.348 23.865 -7.471 1.00 0.00 C ATOM 535 C GLU A 34 17.473 23.347 -8.916 1.00 0.00 C ATOM 536 O GLU A 34 16.780 23.840 -9.807 1.00 0.00 O ATOM 537 CB GLU A 34 18.511 24.812 -7.133 1.00 0.00 C ATOM 538 CG GLU A 34 18.199 25.703 -5.927 1.00 0.00 C ATOM 539 CD GLU A 34 19.385 26.641 -5.617 1.00 0.00 C ATOM 540 OE1 GLU A 34 19.514 27.696 -6.289 1.00 0.00 O ATOM 541 OE2 GLU A 34 20.186 26.343 -4.696 1.00 0.00 O ATOM 0 H GLU A 34 18.013 22.802 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 34 16.409 24.415 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.407 24.226 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.731 25.438 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.305 26.294 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.983 25.083 -5.057 1.00 0.00 H new ATOM 548 N ALA A 35 18.279 22.308 -9.147 1.00 0.00 N ATOM 549 CA ALA A 35 18.402 21.659 -10.453 1.00 0.00 C ATOM 550 C ALA A 35 17.087 20.985 -10.898 1.00 0.00 C ATOM 551 O ALA A 35 16.719 21.076 -12.067 1.00 0.00 O ATOM 552 CB ALA A 35 19.572 20.667 -10.408 1.00 0.00 C ATOM 0 H ALA A 35 18.869 21.891 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 35 18.609 22.420 -11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.672 20.178 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.493 21.201 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.383 19.916 -9.641 1.00 0.00 H new ATOM 558 N MET A 36 16.338 20.352 -9.990 1.00 0.00 N ATOM 559 CA MET A 36 15.024 19.769 -10.299 1.00 0.00 C ATOM 560 C MET A 36 13.955 20.834 -10.574 1.00 0.00 C ATOM 561 O MET A 36 13.186 20.685 -11.521 1.00 0.00 O ATOM 562 CB MET A 36 14.597 18.823 -9.161 1.00 0.00 C ATOM 563 CG MET A 36 15.383 17.505 -9.182 1.00 0.00 C ATOM 564 SD MET A 36 14.992 16.398 -10.567 1.00 0.00 S ATOM 565 CE MET A 36 13.387 15.742 -10.042 1.00 0.00 C ATOM 0 H MET A 36 16.624 20.228 -9.019 1.00 0.00 H new ATOM 0 HA MET A 36 15.121 19.197 -11.222 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.747 19.319 -8.202 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.531 18.611 -9.247 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.448 17.735 -9.211 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.197 16.974 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.465 14.665 -9.894 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.088 16.216 -9.107 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.641 15.950 -10.809 1.00 0.00 H new ATOM 575 N GLU A 37 13.928 21.943 -9.832 1.00 0.00 N ATOM 576 CA GLU A 37 12.999 23.051 -10.108 1.00 0.00 C ATOM 577 C GLU A 37 13.313 23.748 -11.445 1.00 0.00 C ATOM 578 O GLU A 37 12.405 23.970 -12.249 1.00 0.00 O ATOM 579 CB GLU A 37 13.002 24.063 -8.951 1.00 0.00 C ATOM 580 CG GLU A 37 12.454 23.515 -7.622 1.00 0.00 C ATOM 581 CD GLU A 37 11.007 22.990 -7.695 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.146 23.576 -8.392 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.678 21.988 -7.017 1.00 0.00 O ATOM 0 H GLU A 37 14.540 22.102 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 37 12.000 22.623 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.023 24.411 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.411 24.931 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.103 22.708 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.504 24.303 -6.871 1.00 0.00 H new ATOM 590 N SER A 38 14.593 24.024 -11.738 1.00 0.00 N ATOM 591 CA SER A 38 15.020 24.661 -12.998 1.00 0.00 C ATOM 592 C SER A 38 14.920 23.753 -14.234 1.00 0.00 C ATOM 593 O SER A 38 14.865 24.262 -15.355 1.00 0.00 O ATOM 594 CB SER A 38 16.452 25.195 -12.867 1.00 0.00 C ATOM 595 OG SER A 38 16.486 26.285 -11.952 1.00 0.00 O ATOM 0 H SER A 38 15.366 23.812 -11.107 1.00 0.00 H new ATOM 0 HA SER A 38 14.318 25.479 -13.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.115 24.401 -12.523 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.819 25.517 -13.842 1.00 0.00 H new ATOM 0 HG SER A 38 17.404 26.618 -11.874 1.00 0.00 H new ATOM 601 N THR A 39 14.857 22.425 -14.059 1.00 0.00 N ATOM 602 CA THR A 39 14.583 21.461 -15.153 1.00 0.00 C ATOM 603 C THR A 39 13.101 21.080 -15.273 1.00 0.00 C ATOM 604 O THR A 39 12.729 20.348 -16.190 1.00 0.00 O ATOM 605 CB THR A 39 15.454 20.198 -15.047 1.00 0.00 C ATOM 606 OG1 THR A 39 15.265 19.576 -13.802 1.00 0.00 O ATOM 607 CG2 THR A 39 16.938 20.521 -15.209 1.00 0.00 C ATOM 0 H THR A 39 14.994 21.979 -13.152 1.00 0.00 H new ATOM 0 HA THR A 39 14.853 21.988 -16.068 1.00 0.00 H new ATOM 0 HB THR A 39 15.148 19.530 -15.852 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.851 19.993 -13.136 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.521 19.604 -15.128 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.107 20.974 -16.186 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.246 21.217 -14.429 1.00 0.00 H new ATOM 615 N GLY A 40 12.240 21.585 -14.381 1.00 0.00 N ATOM 616 CA GLY A 40 10.790 21.340 -14.423 1.00 0.00 C ATOM 617 C GLY A 40 10.386 19.938 -13.949 1.00 0.00 C ATOM 618 O GLY A 40 9.357 19.412 -14.382 1.00 0.00 O ATOM 0 H GLY A 40 12.530 22.179 -13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.287 22.082 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.436 21.485 -15.444 1.00 0.00 H new ATOM 622 N GLY A 41 11.208 19.324 -13.091 1.00 0.00 N ATOM 623 CA GLY A 41 11.017 17.955 -12.612 1.00 0.00 C ATOM 624 C GLY A 41 11.524 16.903 -13.596 1.00 0.00 C ATOM 625 O GLY A 41 10.750 16.052 -14.044 1.00 0.00 O ATOM 0 H GLY A 41 12.038 19.774 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.534 17.833 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.957 17.787 -12.423 1.00 0.00 H new ATOM 629 N ARG A 42 12.821 16.933 -13.942 1.00 0.00 N ATOM 630 CA ARG A 42 13.469 15.872 -14.745 1.00 0.00 C ATOM 631 C ARG A 42 14.808 15.426 -14.167 1.00 0.00 C ATOM 632 O ARG A 42 15.834 16.054 -14.408 1.00 0.00 O ATOM 633 CB ARG A 42 13.576 16.322 -16.226 1.00 0.00 C ATOM 634 CG ARG A 42 12.333 15.945 -17.050 1.00 0.00 C ATOM 635 CD ARG A 42 12.209 14.416 -17.200 1.00 0.00 C ATOM 636 NE ARG A 42 10.956 13.980 -17.831 1.00 0.00 N ATOM 637 CZ ARG A 42 9.725 14.013 -17.363 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.372 14.615 -16.257 1.00 0.00 N ATOM 639 NH2 ARG A 42 8.815 13.389 -18.045 1.00 0.00 N ATOM 0 H ARG A 42 13.452 17.689 -13.676 1.00 0.00 H new ATOM 0 HA ARG A 42 12.837 14.985 -14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.719 17.402 -16.264 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.458 15.868 -16.677 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.439 16.340 -16.567 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.393 16.407 -18.036 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.049 14.049 -17.791 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.287 13.956 -16.215 1.00 0.00 H new ATOM 0 HE ARG A 42 11.054 13.595 -18.770 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.071 15.101 -15.695 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.398 14.599 -15.956 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.067 12.901 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.848 13.387 -17.722 1.00 0.00 H new ATOM 653 N VAL A 43 14.820 14.277 -13.478 1.00 0.00 N ATOM 654 CA VAL A 43 16.011 13.759 -12.764 1.00 0.00 C ATOM 655 C VAL A 43 17.215 13.545 -13.683 1.00 0.00 C ATOM 656 O VAL A 43 18.313 13.938 -13.313 1.00 0.00 O ATOM 657 CB VAL A 43 15.655 12.520 -11.912 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.303 11.268 -12.726 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.781 12.162 -10.937 1.00 0.00 C ATOM 0 H VAL A 43 14.003 13.672 -13.395 1.00 0.00 H new ATOM 0 HA VAL A 43 16.334 14.534 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 43 14.759 12.822 -11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.067 10.448 -12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.440 11.476 -13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.152 10.990 -13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.494 11.286 -10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.691 11.944 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.960 13.001 -10.265 1.00 0.00 H new ATOM 669 N ARG A 44 17.025 13.069 -14.922 1.00 0.00 N ATOM 670 CA ARG A 44 18.123 12.894 -15.906 1.00 0.00 C ATOM 671 C ARG A 44 18.817 14.215 -16.282 1.00 0.00 C ATOM 672 O ARG A 44 20.043 14.312 -16.268 1.00 0.00 O ATOM 673 CB ARG A 44 17.599 12.087 -17.121 1.00 0.00 C ATOM 674 CG ARG A 44 16.522 12.797 -17.969 1.00 0.00 C ATOM 675 CD ARG A 44 15.700 11.851 -18.858 1.00 0.00 C ATOM 676 NE ARG A 44 16.492 11.255 -19.954 1.00 0.00 N ATOM 677 CZ ARG A 44 16.004 10.655 -21.026 1.00 0.00 C ATOM 678 NH1 ARG A 44 14.725 10.505 -21.224 1.00 0.00 N ATOM 679 NH2 ARG A 44 16.811 10.192 -21.935 1.00 0.00 N ATOM 0 H ARG A 44 16.110 12.792 -15.278 1.00 0.00 H new ATOM 0 HA ARG A 44 18.920 12.314 -15.441 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.443 11.843 -17.766 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.190 11.143 -16.760 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.845 13.332 -17.303 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.005 13.543 -18.600 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.284 11.053 -18.243 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.858 12.399 -19.282 1.00 0.00 H new ATOM 0 HE ARG A 44 17.507 11.312 -19.876 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.058 10.857 -20.537 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.391 10.036 -22.066 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.820 10.292 -21.820 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.435 9.729 -22.762 1.00 0.00 H new ATOM 693 N ILE A 45 18.023 15.265 -16.508 1.00 0.00 N ATOM 694 CA ILE A 45 18.530 16.611 -16.843 1.00 0.00 C ATOM 695 C ILE A 45 19.120 17.277 -15.592 1.00 0.00 C ATOM 696 O ILE A 45 20.142 17.946 -15.677 1.00 0.00 O ATOM 697 CB ILE A 45 17.445 17.494 -17.517 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.716 16.743 -18.661 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.094 18.782 -18.071 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.556 17.522 -19.294 1.00 0.00 C ATOM 0 H ILE A 45 17.005 15.212 -16.465 1.00 0.00 H new ATOM 0 HA ILE A 45 19.326 16.501 -17.579 1.00 0.00 H new ATOM 0 HB ILE A 45 16.703 17.745 -16.759 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.440 16.499 -19.438 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.334 15.798 -18.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.330 19.400 -18.544 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.556 19.337 -17.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.854 18.519 -18.807 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.104 16.923 -20.084 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.808 17.743 -18.533 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.931 18.455 -19.716 1.00 0.00 H new ATOM 712 N ALA A 46 18.534 17.043 -14.415 1.00 0.00 N ATOM 713 CA ALA A 46 19.043 17.575 -13.151 1.00 0.00 C ATOM 714 C ALA A 46 20.405 16.967 -12.785 1.00 0.00 C ATOM 715 O ALA A 46 21.338 17.713 -12.506 1.00 0.00 O ATOM 716 CB ALA A 46 17.989 17.363 -12.057 1.00 0.00 C ATOM 0 H ALA A 46 17.691 16.478 -14.313 1.00 0.00 H new ATOM 0 HA ALA A 46 19.220 18.645 -13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.362 17.757 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.071 17.883 -12.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.784 16.298 -11.950 1.00 0.00 H new ATOM 722 N ILE A 47 20.584 15.642 -12.887 1.00 0.00 N ATOM 723 CA ILE A 47 21.902 15.019 -12.656 1.00 0.00 C ATOM 724 C ILE A 47 22.910 15.422 -13.737 1.00 0.00 C ATOM 725 O ILE A 47 24.057 15.708 -13.397 1.00 0.00 O ATOM 726 CB ILE A 47 21.832 13.492 -12.420 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.444 12.679 -13.672 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.908 13.209 -11.221 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.370 11.165 -13.448 1.00 0.00 C ATOM 0 H ILE A 47 19.842 14.984 -13.125 1.00 0.00 H new ATOM 0 HA ILE A 47 22.274 15.420 -11.713 1.00 0.00 H new ATOM 0 HB ILE A 47 22.839 13.147 -12.188 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.476 13.028 -14.031 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.169 12.882 -14.461 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.854 12.134 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.305 13.699 -10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.910 13.593 -11.432 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.091 10.673 -14.380 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.343 10.798 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.624 10.946 -12.684 1.00 0.00 H new ATOM 741 N ALA A 48 22.487 15.576 -15.000 1.00 0.00 N ATOM 742 CA ALA A 48 23.335 16.175 -16.036 1.00 0.00 C ATOM 743 C ALA A 48 23.780 17.608 -15.671 1.00 0.00 C ATOM 744 O ALA A 48 24.965 17.929 -15.769 1.00 0.00 O ATOM 745 CB ALA A 48 22.566 16.126 -17.363 1.00 0.00 C ATOM 0 H ALA A 48 21.563 15.294 -15.327 1.00 0.00 H new ATOM 0 HA ALA A 48 24.260 15.605 -16.127 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.175 16.566 -18.153 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.339 15.090 -17.614 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.637 16.687 -17.266 1.00 0.00 H new ATOM 751 N LYS A 49 22.873 18.450 -15.151 1.00 0.00 N ATOM 752 CA LYS A 49 23.171 19.829 -14.716 1.00 0.00 C ATOM 753 C LYS A 49 24.129 19.865 -13.515 1.00 0.00 C ATOM 754 O LYS A 49 25.057 20.670 -13.500 1.00 0.00 O ATOM 755 CB LYS A 49 21.836 20.554 -14.413 1.00 0.00 C ATOM 756 CG LYS A 49 21.940 22.090 -14.400 1.00 0.00 C ATOM 757 CD LYS A 49 22.083 22.731 -15.796 1.00 0.00 C ATOM 758 CE LYS A 49 20.800 22.618 -16.636 1.00 0.00 C ATOM 759 NZ LYS A 49 20.928 23.355 -17.929 1.00 0.00 N ATOM 0 H LYS A 49 21.896 18.190 -15.018 1.00 0.00 H new ATOM 0 HA LYS A 49 23.690 20.351 -15.520 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.097 20.257 -15.158 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.465 20.218 -13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.053 22.498 -13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.797 22.379 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.347 23.783 -15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.904 22.252 -16.329 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.584 21.568 -16.834 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.957 23.016 -16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.046 23.259 -18.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.110 24.361 -17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.717 22.958 -18.478 1.00 0.00 H new ATOM 773 N LEU A 50 23.970 18.941 -12.561 1.00 0.00 N ATOM 774 CA LEU A 50 24.885 18.789 -11.414 1.00 0.00 C ATOM 775 C LEU A 50 26.272 18.256 -11.817 1.00 0.00 C ATOM 776 O LEU A 50 27.262 18.618 -11.189 1.00 0.00 O ATOM 777 CB LEU A 50 24.256 17.862 -10.355 1.00 0.00 C ATOM 778 CG LEU A 50 22.970 18.363 -9.673 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.454 17.264 -8.746 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.194 19.636 -8.861 1.00 0.00 C ATOM 0 H LEU A 50 23.200 18.272 -12.559 1.00 0.00 H new ATOM 0 HA LEU A 50 25.035 19.785 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.039 16.904 -10.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.001 17.675 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 50 22.247 18.600 -10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.542 17.602 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.241 16.367 -9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.210 17.038 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.255 19.945 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.933 19.446 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.554 20.428 -9.518 1.00 0.00 H new ATOM 792 N LEU A 51 26.369 17.419 -12.852 1.00 0.00 N ATOM 793 CA LEU A 51 27.657 16.940 -13.388 1.00 0.00 C ATOM 794 C LEU A 51 28.354 17.975 -14.295 1.00 0.00 C ATOM 795 O LEU A 51 29.583 18.017 -14.345 1.00 0.00 O ATOM 796 CB LEU A 51 27.432 15.604 -14.122 1.00 0.00 C ATOM 797 CG LEU A 51 27.080 14.421 -13.198 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.611 13.236 -14.041 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.273 13.966 -12.353 1.00 0.00 C ATOM 0 H LEU A 51 25.558 17.050 -13.348 1.00 0.00 H new ATOM 0 HA LEU A 51 28.336 16.786 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.630 15.733 -14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.333 15.355 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 51 26.294 14.764 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.362 12.400 -13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.729 13.523 -14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.406 12.938 -14.724 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.973 13.131 -11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.084 13.651 -13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.612 14.792 -11.728 1.00 0.00 H new ATOM 1252 N SER A 85 10.376 10.869 -12.803 1.00 0.00 N ATOM 1253 CA SER A 85 10.891 12.002 -12.013 1.00 0.00 C ATOM 1254 C SER A 85 9.957 12.471 -10.891 1.00 0.00 C ATOM 1255 O SER A 85 10.433 13.069 -9.930 1.00 0.00 O ATOM 1256 CB SER A 85 11.215 13.176 -12.937 1.00 0.00 C ATOM 1257 OG SER A 85 12.321 12.830 -13.759 1.00 0.00 O ATOM 0 HA SER A 85 11.791 11.634 -11.520 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.350 13.419 -13.554 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.447 14.064 -12.349 1.00 0.00 H new ATOM 0 HG SER A 85 12.266 11.881 -13.999 1.00 0.00 H new ATOM 1263 N GLN A 86 8.648 12.206 -10.976 1.00 0.00 N ATOM 1264 CA GLN A 86 7.651 12.742 -10.029 1.00 0.00 C ATOM 1265 C GLN A 86 7.858 12.248 -8.588 1.00 0.00 C ATOM 1266 O GLN A 86 7.787 13.049 -7.657 1.00 0.00 O ATOM 1267 CB GLN A 86 6.231 12.408 -10.520 1.00 0.00 C ATOM 1268 CG GLN A 86 5.858 13.142 -11.822 1.00 0.00 C ATOM 1269 CD GLN A 86 4.420 12.877 -12.286 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.659 12.108 -11.707 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.988 13.504 -13.359 1.00 0.00 N ATOM 0 H GLN A 86 8.245 11.614 -11.702 1.00 0.00 H new ATOM 0 HA GLN A 86 7.786 13.823 -10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.151 11.333 -10.679 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.513 12.669 -9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.992 14.214 -11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.547 12.839 -12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.604 14.148 -13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.038 13.346 -13.694 1.00 0.00 H new ATOM 1280 N GLN A 87 8.198 10.966 -8.387 1.00 0.00 N ATOM 1281 CA GLN A 87 8.483 10.434 -7.043 1.00 0.00 C ATOM 1282 C GLN A 87 9.768 11.037 -6.453 1.00 0.00 C ATOM 1283 O GLN A 87 9.794 11.403 -5.279 1.00 0.00 O ATOM 1284 CB GLN A 87 8.565 8.895 -7.060 1.00 0.00 C ATOM 1285 CG GLN A 87 7.226 8.208 -7.375 1.00 0.00 C ATOM 1286 CD GLN A 87 7.292 6.705 -7.095 1.00 0.00 C ATOM 1287 OE1 GLN A 87 7.051 6.242 -5.986 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.649 5.885 -8.059 1.00 0.00 N ATOM 0 H GLN A 87 8.283 10.278 -9.136 1.00 0.00 H new ATOM 0 HA GLN A 87 7.653 10.726 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.304 8.588 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.922 8.548 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.435 8.657 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.967 8.374 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.854 6.250 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.721 4.884 -7.877 1.00 0.00 H new ATOM 1297 N ILE A 88 10.811 11.205 -7.278 1.00 0.00 N ATOM 1298 CA ILE A 88 12.088 11.820 -6.860 1.00 0.00 C ATOM 1299 C ILE A 88 11.850 13.290 -6.499 1.00 0.00 C ATOM 1300 O ILE A 88 12.280 13.732 -5.443 1.00 0.00 O ATOM 1301 CB ILE A 88 13.182 11.645 -7.951 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.731 10.203 -8.059 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.412 12.535 -7.668 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.733 9.096 -8.416 1.00 0.00 C ATOM 0 H ILE A 88 10.797 10.919 -8.257 1.00 0.00 H new ATOM 0 HA ILE A 88 12.462 11.310 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 88 12.674 11.921 -8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.522 10.199 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.193 9.946 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.156 12.387 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.108 13.581 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.842 12.266 -6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.252 8.138 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.951 9.052 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.285 9.309 -9.387 1.00 0.00 H new ATOM 1316 N LEU A 89 11.101 14.023 -7.328 1.00 0.00 N ATOM 1317 CA LEU A 89 10.726 15.419 -7.071 1.00 0.00 C ATOM 1318 C LEU A 89 9.947 15.563 -5.760 1.00 0.00 C ATOM 1319 O LEU A 89 10.327 16.378 -4.921 1.00 0.00 O ATOM 1320 CB LEU A 89 9.954 15.930 -8.313 1.00 0.00 C ATOM 1321 CG LEU A 89 9.458 17.391 -8.358 1.00 0.00 C ATOM 1322 CD1 LEU A 89 8.196 17.627 -7.532 1.00 0.00 C ATOM 1323 CD2 LEU A 89 10.527 18.392 -7.928 1.00 0.00 C ATOM 0 H LEU A 89 10.733 13.660 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 89 11.611 16.039 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.596 15.777 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.084 15.287 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 89 9.218 17.559 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.902 18.674 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.391 16.996 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.392 17.380 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.121 19.402 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.836 18.177 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.388 18.312 -8.592 1.00 0.00 H new ATOM 1335 N ASN A 90 8.920 14.736 -5.530 1.00 0.00 N ATOM 1336 CA ASN A 90 8.175 14.749 -4.268 1.00 0.00 C ATOM 1337 C ASN A 90 9.098 14.505 -3.065 1.00 0.00 C ATOM 1338 O ASN A 90 9.124 15.317 -2.141 1.00 0.00 O ATOM 1339 CB ASN A 90 7.026 13.725 -4.331 1.00 0.00 C ATOM 1340 CG ASN A 90 6.321 13.642 -2.979 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.514 14.487 -2.624 1.00 0.00 O ATOM 1342 ND2 ASN A 90 6.665 12.671 -2.163 1.00 0.00 N ATOM 0 H ASN A 90 8.586 14.048 -6.205 1.00 0.00 H new ATOM 0 HA ASN A 90 7.743 15.740 -4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.314 14.013 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.416 12.745 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.258 12.621 -1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.339 11.967 -2.463 1.00 0.00 H new ATOM 1349 N ARG A 91 9.906 13.434 -3.074 1.00 0.00 N ATOM 1350 CA ARG A 91 10.766 13.110 -1.922 1.00 0.00 C ATOM 1351 C ARG A 91 11.905 14.113 -1.725 1.00 0.00 C ATOM 1352 O ARG A 91 12.282 14.370 -0.586 1.00 0.00 O ATOM 1353 CB ARG A 91 11.238 11.645 -2.022 1.00 0.00 C ATOM 1354 CG ARG A 91 12.035 11.146 -0.800 1.00 0.00 C ATOM 1355 CD ARG A 91 11.248 11.270 0.510 1.00 0.00 C ATOM 1356 NE ARG A 91 12.073 10.892 1.671 1.00 0.00 N ATOM 1357 CZ ARG A 91 11.771 11.064 2.941 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.638 11.573 3.336 1.00 0.00 N ATOM 1359 NH2 ARG A 91 12.654 10.721 3.833 1.00 0.00 N ATOM 0 H ARG A 91 9.983 12.783 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 91 10.174 13.205 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.367 11.004 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.857 11.536 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.314 10.104 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.961 11.715 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.897 12.295 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.364 10.633 0.467 1.00 0.00 H new ATOM 0 HE ARG A 91 12.971 10.452 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.940 11.858 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.450 11.687 4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.550 10.331 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.450 10.842 4.825 1.00 0.00 H new ATOM 1373 N LEU A 92 12.407 14.744 -2.788 1.00 0.00 N ATOM 1374 CA LEU A 92 13.394 15.822 -2.677 1.00 0.00 C ATOM 1375 C LEU A 92 12.774 17.112 -2.108 1.00 0.00 C ATOM 1376 O LEU A 92 13.410 17.773 -1.290 1.00 0.00 O ATOM 1377 CB LEU A 92 14.055 16.014 -4.052 1.00 0.00 C ATOM 1378 CG LEU A 92 15.285 16.937 -4.072 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.450 16.398 -3.239 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.755 17.054 -5.516 1.00 0.00 C ATOM 0 H LEU A 92 12.142 14.524 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 92 14.167 15.550 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.350 15.036 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.311 16.414 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 92 14.989 17.895 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.288 17.093 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.135 16.289 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.758 15.428 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.629 17.704 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.017 16.066 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.956 17.476 -6.126 1.00 0.00 H new ATOM 1392 N ARG A 93 11.514 17.429 -2.450 1.00 0.00 N ATOM 1393 CA ARG A 93 10.761 18.532 -1.815 1.00 0.00 C ATOM 1394 C ARG A 93 10.481 18.250 -0.340 1.00 0.00 C ATOM 1395 O ARG A 93 10.634 19.151 0.474 1.00 0.00 O ATOM 1396 CB ARG A 93 9.455 18.830 -2.577 1.00 0.00 C ATOM 1397 CG ARG A 93 9.687 19.627 -3.873 1.00 0.00 C ATOM 1398 CD ARG A 93 8.338 19.985 -4.515 1.00 0.00 C ATOM 1399 NE ARG A 93 8.507 20.804 -5.730 1.00 0.00 N ATOM 1400 CZ ARG A 93 7.557 21.286 -6.505 1.00 0.00 C ATOM 1401 NH1 ARG A 93 6.292 21.037 -6.309 1.00 0.00 N ATOM 1402 NH2 ARG A 93 7.884 22.041 -7.509 1.00 0.00 N ATOM 0 H ARG A 93 10.988 16.933 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 93 11.390 19.421 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.958 17.890 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.781 19.389 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.249 20.535 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.286 19.040 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.801 19.070 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.725 20.527 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 93 9.466 21.021 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.003 20.447 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.591 21.433 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.865 22.254 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.160 22.422 -8.118 1.00 0.00 H new ATOM 1416 N GLU A 94 10.176 17.009 0.035 1.00 0.00 N ATOM 1417 CA GLU A 94 10.061 16.632 1.456 1.00 0.00 C ATOM 1418 C GLU A 94 11.393 16.855 2.195 1.00 0.00 C ATOM 1419 O GLU A 94 11.436 17.603 3.176 1.00 0.00 O ATOM 1420 CB GLU A 94 9.623 15.163 1.596 1.00 0.00 C ATOM 1421 CG GLU A 94 8.177 14.902 1.148 1.00 0.00 C ATOM 1422 CD GLU A 94 7.794 13.401 1.189 1.00 0.00 C ATOM 1423 OE1 GLU A 94 8.554 12.574 1.755 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.718 13.040 0.647 1.00 0.00 O ATOM 0 H GLU A 94 10.003 16.244 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 94 9.302 17.270 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.294 14.536 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.732 14.859 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.497 15.463 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.043 15.278 0.134 1.00 0.00 H new ATOM 1431 N ARG A 95 12.497 16.289 1.678 1.00 0.00 N ATOM 1432 CA ARG A 95 13.836 16.386 2.295 1.00 0.00 C ATOM 1433 C ARG A 95 14.336 17.827 2.458 1.00 0.00 C ATOM 1434 O ARG A 95 14.894 18.160 3.504 1.00 0.00 O ATOM 1435 CB ARG A 95 14.848 15.580 1.458 1.00 0.00 C ATOM 1436 CG ARG A 95 14.811 14.075 1.764 1.00 0.00 C ATOM 1437 CD ARG A 95 15.737 13.329 0.795 1.00 0.00 C ATOM 1438 NE ARG A 95 16.206 12.049 1.358 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.449 11.604 1.436 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.495 12.290 1.103 1.00 0.00 N ATOM 1441 NH2 ARG A 95 17.694 10.411 1.868 1.00 0.00 N ATOM 0 H ARG A 95 12.488 15.747 0.814 1.00 0.00 H new ATOM 0 HA ARG A 95 13.746 15.974 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.642 15.736 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.852 15.960 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.124 13.895 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.792 13.700 1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.209 13.143 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.595 13.957 0.557 1.00 0.00 H new ATOM 0 HE ARG A 95 15.485 11.433 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.390 13.242 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.424 11.878 1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.925 9.804 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.656 10.077 1.925 1.00 0.00 H new ATOM 1455 N VAL A 96 14.158 18.665 1.432 1.00 0.00 N ATOM 1456 CA VAL A 96 14.751 20.017 1.382 1.00 0.00 C ATOM 1457 C VAL A 96 13.789 21.111 1.865 1.00 0.00 C ATOM 1458 O VAL A 96 14.236 22.070 2.499 1.00 0.00 O ATOM 1459 CB VAL A 96 15.293 20.307 -0.031 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.948 21.690 -0.139 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.361 19.272 -0.407 1.00 0.00 C ATOM 0 H VAL A 96 13.600 18.431 0.611 1.00 0.00 H new ATOM 0 HA VAL A 96 15.585 20.035 2.083 1.00 0.00 H new ATOM 0 HB VAL A 96 14.434 20.264 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.312 21.842 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.215 22.460 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.783 21.753 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.738 19.485 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.182 19.320 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.923 18.274 -0.390 1.00 0.00 H new ATOM 1471 N SER A 97 12.484 20.962 1.617 1.00 0.00 N ATOM 1472 CA SER A 97 11.463 21.986 1.898 1.00 0.00 C ATOM 1473 C SER A 97 10.455 21.597 3.000 1.00 0.00 C ATOM 1474 O SER A 97 9.698 22.462 3.449 1.00 0.00 O ATOM 1475 CB SER A 97 10.718 22.379 0.610 1.00 0.00 C ATOM 1476 OG SER A 97 11.633 22.741 -0.420 1.00 0.00 O ATOM 0 H SER A 97 12.097 20.112 1.208 1.00 0.00 H new ATOM 0 HA SER A 97 12.013 22.843 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.099 21.546 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.047 23.213 0.814 1.00 0.00 H new ATOM 0 HG SER A 97 11.136 22.985 -1.228 1.00 0.00 H new